Unified analytical treatment of two-electron multicenter integrals of central and noncentral interaction potentials over Slater orbitals

Guseinov I.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, cilt.100, sa.2, ss.206-207, 2004 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 100 Sayı: 2
  • Basım Tarihi: 2004
  • Doi Numarası: 10.1002/qua.20225
  • Dergi Adı: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.206-207
  • Çanakkale Onsekiz Mart Üniversitesi Adresli: Hayır

Özet

The complete orthonormal sets of psi(alpha)-exponential-type orbitals (ETOs) (alpha = 1, 0, -1, -2,...) introduced by the author for expanding Slater-type orbitals (STOs) enable two-electron multicenter integrals of arbitrary central and noncentral interaction potentials (CIPs and NCIPs) to be reduced to one-center two-electron integrals. These one-center integrals are advantageously reduced using Fourier convolution methods. (C) 2004 Wiley Periodicals, Inc.